CID 4962525

4-cyclopropyl-1,5-dioxo-1h,2h,3h,3ah,4h,5h-pyrrolo[1,2-a]quinazoline-3a-carboxylic acid

Structural Information

Molecular Formula
C15H14N2O4
SMILES
C1CC1N2C(=O)C3=CC=CC=C3N4C2(CCC4=O)C(=O)O
InChI
InChI=1S/C15H14N2O4/c18-12-7-8-15(14(20)21)16(9-5-6-9)13(19)10-3-1-2-4-11(10)17(12)15/h1-4,9H,5-8H2,(H,20,21)
InChIKey
LHSNRGLXMNVPDN-UHFFFAOYSA-N
Compound name
4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

286.09537 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.102646 170.6
[M+Na]+ 309.084588 181.0
[M-H]- 285.088094 175.6
[M+NH4]+ 304.129193 183.6
[M+K]+ 325.058528 175.6
[M+H-H2O]+ 269.092630 164.1
[M+HCOO]- 331.093571 184.8
[M+CH3COO]- 345.109221 180.9
[M+Na-2H]- 307.070036 172.5
[M]+ 286.09482142 171.9
[M]- 286.09591858 171.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.